Geometry & MOs

Info

ID:	151049
PubChem CID:	53790746
Reduced:	FN2O3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	147.068414
ΔH_f, kcal/mol:	-140.89
Dipole, Da:	8.12
IP(EA), eV:	-10.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenoxyprop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCCCCCCCCCCCCC(=O)N)[N+](=O)[O-])F

DOS

IR

Vibrations